[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine

C14H16FN3O — CID 82485077

IUPAC[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
SMILESCC(C)Oc1ccc(-c2nccnc2CN)cc1F
InChIInChI=1S/C14H16FN3O/c1-9(2)19-13-4-3-10(7-11(13)15)14-12(8-16)17-5-6-18-14/h3-7,9H,8,16H2,1-2H3
InChIKeyDXLIUDPGQOYEPJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.53
Rot. Bonds4

About [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine

[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine (PubChem CID 82485077) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
PubChem CID82485077
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
SMILESCC(C)Oc1ccc(-c2nccnc2CN)cc1F
InChIInChI=1S/C14H16FN3O/c1-9(2)19-13-4-3-10(7-11(13)15)14-12(8-16)17-5-6-18-14/h3-7,9H,8,16H2,1-2H3
InChIKeyDXLIUDPGQOYEPJ-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
CID 82487308
5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-imidazol-2-amine
CID 82291079
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 95478846
[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
CID 117096809
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
3-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
CID 11485347
2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
CID 82484359

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine (CID 82485077) is [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine is CC(C)Oc1ccc(-c2nccnc2CN)cc1F.
What is the InChIKey of [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine?
The InChIKey is DXLIUDPGQOYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(2)19-13-4-3-10(7-11(13)15)14-12(8-16)17-5-6-18-14/h3-7,9H,8,16H2,1-2H3.
What are the key properties of [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine?
[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82485077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).